Molecular Properties | |
SMILES: | CC(C)(O)c1coc(S(=O)(=O)NC(=O)c2cncnc2)c1 |
MW: | 311.06 |
Fraction sp3: | 0.25 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 122.39 |
cLogP: | 0.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-c317dd82-100
0.465
MAR-TRE-8190bb11-57
0.443
MAR-TRE-92684b97-40
0.443
MAR-TRE-4f781e27-54
0.438
MAR-TRE-8190bb11-53
0.437
MAR-TRE-4f781e27-17
0.437
MAR-TRE-be9ff7d2-63
0.429
MAR-TRE-4f781e27-72
0.429
MAR-TRE-e82e6c98-63
0.426
MAR-TRE-66ac689e-16
0.425
MAR-TRE-92684b97-34
0.425
MAR-TRE-92684b97-59
0.423
MAR-TRE-a9136c7b-40
0.423
MAR-TRE-4f781e27-50
0.423
MAR-TRE-8190bb11-77
0.419
MAR-TRE-92684b97-48
0.417
MAR-TRE-a9136c7b-92
0.417
MAR-TRE-8190bb11-60
0.417
MAR-TRE-4f781e27-46
0.414
MAR-TRE-799db12b-53
0.413
MAR-TRE-be9ff7d2-13
0.411
MAR-TRE-66ac689e-13
0.411
MAR-TRE-8190bb11-78
0.411
MAR-TRE-92684b97-13
0.411
MAR-TRE-be9ff7d2-31
0.408
MAR-TRE-4f781e27-95
0.408
MAR-TRE-92684b97-60
0.408
MAR-TRE-799db12b-77
0.408
MAR-TRE-799db12b-10
0.405
MAR-TRE-8190bb11-84
0.405
MAR-TRE-92684b97-69
0.405
MAR-TRE-9d18ae8c-25
0.405
MAR-TRE-be9ff7d2-4
0.405
MAR-TRE-4f781e27-87
0.403
MAR-TRE-be9ff7d2-58
0.403
MAR-TRE-8190bb11-29
0.403
MAR-TRE-8190bb11-32
0.403
MAR-TRE-8190bb11-45
0.400
MAR-TRE-9d18ae8c-63
0.397
MAR-TRE-a9136c7b-56
0.397
MAR-TRE-a9136c7b-88
0.395
MAR-TRE-e82e6c98-58
0.395
MAR-TRE-66ac689e-6
0.395
MAR-TRE-66ac689e-63
0.395
MAR-TRE-c317dd82-43
0.394
MAR-TRE-92684b97-21
0.394
MAR-TRE-4f781e27-3
0.392
MAR-TRE-a9136c7b-3
0.392
MAR-TRE-c317dd82-79
0.390
MAR-TRE-799db12b-88
0.390
MAR-TRE-a9136c7b-75
0.389
MAR-TRE-a9136c7b-39
0.389
MAR-TRE-8190bb11-44
0.389
MAR-TRE-c317dd82-84
0.388
MAR-TRE-a9136c7b-15
0.387
MAR-TRE-a9136c7b-84
0.387
MAR-TRE-8190bb11-85
0.386
MAR-TRE-a9136c7b-61
0.385
MAR-TRE-9d18ae8c-56
0.385
MAR-TRE-9d18ae8c-75
0.385
MAR-TRE-a9136c7b-20
0.384
MAR-TRE-4f781e27-62
0.384
MAR-TRE-be9ff7d2-45
0.382
MAR-TRE-4f781e27-15
0.382
MAR-TRE-c317dd82-1
0.382
MAR-TRE-799db12b-38
0.382
MAR-TRE-8190bb11-12
0.382
MAR-TRE-8190bb11-3
0.382
MAR-TRE-4f781e27-90
0.382
MAR-TRE-9d18ae8c-100
0.382
MAR-TRE-8190bb11-38
0.380
MAR-TRE-e82e6c98-90
0.380
MAR-TRE-799db12b-22
0.380
MAR-TRE-4f781e27-66
0.380
MAR-TRE-be9ff7d2-23
0.378
MAR-TRE-e82e6c98-45
0.378
MAR-TRE-66ac689e-32
0.378
MAR-TRE-8190bb11-1
0.378
MAR-TRE-4f781e27-42
0.378
MAR-TRE-92684b97-9
0.378
MAR-TRE-799db12b-42
0.378
MAR-TRE-799db12b-5
0.377
MAR-TRE-4f781e27-89
0.375
MAR-TRE-c317dd82-28
0.373
MAR-TRE-8190bb11-55
0.373
MAR-TRE-8190bb11-37
0.373
MAR-TRE-a9136c7b-60
0.372
MAR-TRE-66ac689e-11
0.370
MAR-TRE-799db12b-83
0.370
MAR-TRE-8190bb11-19
0.370
MAR-TRE-92684b97-23
0.370
MAR-TRE-66ac689e-14
0.370
MAR-TRE-8190bb11-15
0.368
MAR-TRE-66ac689e-39
0.368
MAR-TRE-8190bb11-87
0.367
MAR-TRE-a9136c7b-90
0.367
MAR-TRE-8190bb11-63
0.367
MAR-TRE-92684b97-33
0.366
MAR-TRE-be9ff7d2-65
0.361
MAR-TRE-a9136c7b-43
0.360